N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine

C15H15BrF2N2O — CID 43220642

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
SMILESFC(F)Oc1ccc(Br)cc1CNCCc1ccccn1
InChIInChI=1S/C15H15BrF2N2O/c16-12-4-5-14(21-15(17)18)11(9-12)10-19-8-6-13-3-1-2-7-20-13/h1-5,7,9,15,19H,6,8,10H2
InChIKeyYEMRIVFEUSSNMO-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.78
Rot. Bonds7

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 43220642) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
PubChem CID43220642
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
SMILESFC(F)Oc1ccc(Br)cc1CNCCc1ccccn1
InChIInChI=1S/C15H15BrF2N2O/c16-12-4-5-14(21-15(17)18)11(9-12)10-19-8-6-13-3-1-2-7-20-13/h1-5,7,9,15,19H,6,8,10H2
InChIKeyYEMRIVFEUSSNMO-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744520
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220482
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 43220632
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
5-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]pentanenitrile
CID 119115180
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 43221984
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495823
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methoxypentan-1-amine
CID 103631883

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine (CID 43220642) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine is FC(F)Oc1ccc(Br)cc1CNCCc1ccccn1.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is YEMRIVFEUSSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c16-12-4-5-14(21-15(17)18)11(9-12)10-19-8-6-13-3-1-2-7-20-13/h1-5,7,9,15,19H,6,8,10H2.
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 357.20 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 43220642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).